4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one

C12H15FN2O2 — CID 106189351

IUPAC4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NCC(O)c2ccc(F)cc2)CN1
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-8(2-4-9)11(16)7-14-10-5-12(17)15-6-10/h1-4,10-11,14,16H,5-7H2,(H,15,17)
InChIKeyIMMREAQAHLHDSQ-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.34
Rot. Bonds4

About 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one

4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one (PubChem CID 106189351) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
PubChem CID106189351
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one
SMILESO=C1CC(NCC(O)c2ccc(F)cc2)CN1
InChIInChI=1S/C12H15FN2O2/c13-9-3-1-8(2-4-9)11(16)7-14-10-5-12(17)15-6-10/h1-4,10-11,14,16H,5-7H2,(H,15,17)
InChIKeyIMMREAQAHLHDSQ-UHFFFAOYSA-N
XLogP0.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
CID 106189161
4-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]pyrrolidin-2-one
CID 106188907
5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one
CID 63663369
1-(4-fluorophenyl)-2-[(1-oxothian-4-yl)amino]ethanol
CID 113479901
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
N-(4-fluorophenyl)-2-[(5-oxopyrrolidin-3-yl)amino]acetamide
CID 106189109
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]cyclohexane-1-carboxamide
CID 61043138
1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 62397151
4-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]pyrrolidin-2-one
CID 106188968
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide
CID 106189648
4-[(2-hydroxy-3-propan-2-yloxypropyl)amino]pyrrolidin-2-one
CID 106188976
2-[[3-(4-fluorophenyl)cyclobutyl]amino]-1-phenylethanol
CID 43635434

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one?
The IUPAC name of 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one (CID 106189351) is 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one is O=C1CC(NCC(O)c2ccc(F)cc2)CN1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one?
The InChIKey is IMMREAQAHLHDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-9-3-1-8(2-4-9)11(16)7-14-10-5-12(17)15-6-10/h1-4,10-11,14,16H,5-7H2,(H,15,17).
What are the key properties of 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one?
4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 106189351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).